(2S)-5-hydroxy-7-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
| Internal ID | a5bc9dbd-10be-46b4-a0e8-9f720c49ab71 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (2S)-5-hydroxy-7-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione |
| SMILES (Canonical) | CC(=C)C1CC2=C(O1)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O |
| SMILES (Isomeric) | CC(=C)[C@@H]1CC2=C(O1)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O |
| InChI | InChI=1S/C16H14O5/c1-7(2)12-6-10-14(18)13-9(15(19)16(10)21-12)4-8(20-3)5-11(13)17/h4-5,12,17H,1,6H2,2-3H3/t12-/m0/s1 |
| InChI Key | VKJPWICQEHYSDY-LBPRGKRZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O5 |
| Molecular Weight | 286.28 g/mol |
| Exact Mass | 286.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (2S)-5-hydroxy-7-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2s-5-hydroxy-7-methoxy-2-prop-1-en-2-yl-23-dihydrobenzof1benzofuran-49-dione.jpg "2D Structure of (2S)-5-hydroxy-7-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.03% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.39% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.98% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.74% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.59% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.33% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.45% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.59% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.38% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.77% | 89.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.78% | 92.68% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.12% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.71% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.31% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.85% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.32% | 94.45% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.15% | 95.53% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.91% | 93.65% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.33% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.75% | 99.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.19% | 96.38% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.04% | 91.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.81% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.19% | 93.40% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Newbouldia laevis |
| PubChem | 163007623 |
| LOTUS | LTS0109401 |
| wikiData | Q105287816 |